6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine

C18H23N5 — CID 133344299

IUPAC6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine
SMILESc1cnc2nc(N3CCN(C4CC5CCC4C5)CC3)ccc2n1
InChIInChI=1S/C18H23N5/c1-2-14-11-13(1)12-16(14)22-7-9-23(10-8-22)17-4-3-15-18(21-17)20-6-5-19-15/h3-6,13-14,16H,1-2,7-12H2
InChIKeyTWPRSUNOXHVOCW-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.34
Rot. Bonds2

About 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine

6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine (PubChem CID 133344299) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine
PubChem CID133344299
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine
SMILESc1cnc2nc(N3CCN(C4CC5CCC4C5)CC3)ccc2n1
InChIInChI=1S/C18H23N5/c1-2-14-11-13(1)12-16(14)22-7-9-23(10-8-22)17-4-3-15-18(21-17)20-6-5-19-15/h3-6,13-14,16H,1-2,7-12H2
InChIKeyTWPRSUNOXHVOCW-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine?
The IUPAC name of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine (CID 133344299) is 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine.
What is the SMILES notation for 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine?
The canonical SMILES for 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine is c1cnc2nc(N3CCN(C4CC5CCC4C5)CC3)ccc2n1.
What is the InChIKey of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine?
The InChIKey is TWPRSUNOXHVOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-2-14-11-13(1)12-16(14)22-7-9-23(10-8-22)17-4-3-15-18(21-17)20-6-5-19-15/h3-6,13-14,16H,1-2,7-12H2.
What are the key properties of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine?
6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine has a molecular weight of 309.42 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 133344299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).